1-azaniumyl-4-(4-ethoxycarbonylphenyl)cyclohexane-1-carboxylate

Systemtic Name: 1-azaniumyl-4-(4-ethoxycarbonylphenyl)cyclohexane-1-carboxylate Openeye Name: 1-azaniumyl-4-(4-ethoxycarbonylphenyl)cyclohexanecarboxylate CAS Name: 1-ammonio-4-(4-ethoxycarbonylphenyl)-1-cyclohexanecarboxylate IUPAC Name: 1-azaniumyl-4-(4-ethoxycarbonylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-ammonio-4-(4-carbethoxyphenyl)cyclohexanecarboxylate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2CCC(CC2)(C(=O)[O-])[NH3+]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2CCC(CC2)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H21NO4/c1-2-21-14(18)13-5-3-11(4-6-13)12-7-9-16(17,10-8-12)15(19)20/h3-6,12H,2,7-10,17H2,1H3,(H,19,20)